5,7-dihydroxy-2-methyl-2,3-dihydrochromen-4-one;phenol

C16H16O5 — CID 162376835

IUPAC5,7-dihydroxy-2-methyl-2,3-dihydrochromen-4-one;phenol
SMILESCC1CC(=O)c2c(O)cc(O)cc2O1.Oc1ccccc1
InChIInChI=1S/C10H10O4.C6H6O/c1-5-2-7(12)10-8(13)3-6(11)4-9(10)14-5;7-6-4-2-1-3-5-6/h3-5,11,13H,2H2,1H3;1-5,7H
InChIKeyQIXAOXODBMEXIX-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.84
Rot. Bonds

About 5,7-dihydroxy-2-methyl-2,3-dihydrochromen-4-one;phenol

5,7-dihydroxy-2-methyl-2,3-dihydrochromen-4-one;phenol (PubChem CID 162376835) has the molecular formula C16H16O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is 5,7-dihydroxy-2-methyl-2,3-dihydrochromen-4-one;phenol.

Molecular Properties

Compound Name5,7-dihydroxy-2-methyl-2,3-dihydrochromen-4-one;phenol
PubChem CID162376835
Molecular FormulaC16H16O5
Molecular Weight288.30 g/mol
Exact Mass288.10
IUPAC Name5,7-dihydroxy-2-methyl-2,3-dihydrochromen-4-one;phenol
SMILESCC1CC(=O)c2c(O)cc(O)cc2O1.Oc1ccccc1
InChIInChI=1S/C10H10O4.C6H6O/c1-5-2-7(12)10-8(13)3-6(11)4-9(10)14-5;7-6-4-2-1-3-5-6/h3-5,11,13H,2H2,1H3;1-5,7H
InChIKeyQIXAOXODBMEXIX-UHFFFAOYSA-N
XLogP2.84
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one;ethane
CID 143810700
5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 932
5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;N,N-dimethylmethanamine
CID 174718034
2-(3,5-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
CID 11483087
(2S)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
CID 10356745
(2R)-5,7-dihydroxy-2-(4-hydroxycyclohexa-1,3-dien-1-yl)-2,3-dihydrochromen-4-one
CID 163048664
(2S)-2-ethenyl-5,7-dihydroxy-2,3-dihydrochromen-4-one
CID 169174293
[4-(5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)phenyl] benzoate
CID 169224026
(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;1,3-diphenylprop-2-en-1-one
CID 66687732
(2R)-8,10-dihydroxy-2,5-dimethyl-2,3-dihydrobenzo[h]chromen-4-one
CID 102473740
ethane;2-methyl-2,3-dihydrochromen-4-one
CID 142100013
(2R)-5,7-dihydroxy-2-(3-hydroxy-5-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 163062623

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-2-methyl-2,3-dihydrochromen-4-one;phenol?
The IUPAC name of 5,7-dihydroxy-2-methyl-2,3-dihydrochromen-4-one;phenol (CID 162376835) is 5,7-dihydroxy-2-methyl-2,3-dihydrochromen-4-one;phenol.
What is the SMILES notation for 5,7-dihydroxy-2-methyl-2,3-dihydrochromen-4-one;phenol?
The canonical SMILES for 5,7-dihydroxy-2-methyl-2,3-dihydrochromen-4-one;phenol is CC1CC(=O)c2c(O)cc(O)cc2O1.Oc1ccccc1.
What is the InChIKey of 5,7-dihydroxy-2-methyl-2,3-dihydrochromen-4-one;phenol?
The InChIKey is QIXAOXODBMEXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4.C6H6O/c1-5-2-7(12)10-8(13)3-6(11)4-9(10)14-5;7-6-4-2-1-3-5-6/h3-5,11,13H,2H2,1H3;1-5,7H.
What are the key properties of 5,7-dihydroxy-2-methyl-2,3-dihydrochromen-4-one;phenol?
5,7-dihydroxy-2-methyl-2,3-dihydrochromen-4-one;phenol has a molecular weight of 288.30 g/mol, XLogP of 2.84, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-2-methyl-2,3-dihydrochromen-4-one;phenol is sourced from PubChem (CID 162376835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).